UCSF

ZINC37080919

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 13 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.48 4.97 -109.08 4 2 2 32 184.327 2
Hi High (pH 8-9.5) 1.48 5.33 -30.14 3 2 1 30 183.319 2
Hi High (pH 8-9.5) 1.48 3.21 -38.86 3 2 1 31 183.319 2

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )